1-cyclopropyl-3-[[4-(2-methylpropoxy)-6-[2-[2-oxo-3-[(4-propan-2-yloxyquinazolin-2-yl)methyl]imidazo[4,5-c]pyridin-1-yl]cyclopropyl]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

C43H42N10O4 — CID 130235023

IUPAC1-cyclopropyl-3-[[4-(2-methylpropoxy)-6-[2-[2-oxo-3-[(4-propan-2-yloxyquinazolin-2-yl)methyl]imidazo[4,5-c]pyridin-1-yl]cyclopropyl]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCC(C)COc1nc(Cn2c(=O)n(C3CC3)c3ccncc32)nc2ccc(C3CC3n3c(=O)n(Cc4nc(OC(C)C)c5ccccc5n4)c4cnccc43)cc12
InChIInChI=1S/C43H42N10O4/c1-24(2)23-56-40-30-17-26(9-12-32(30)47-38(48-40)21-50-36-19-44-15-13-33(36)52(42(50)54)27-10-11-27)29-18-35(29)53-34-14-16-45-20-37(34)51(43(53)55)22-39-46-31-8-6-5-7-28(31)41(49-39)57-25(3)4/h5-9,12-17,19-20,24-25,27,29,35H,10-11,18,21-23H2,1-4H3
InChIKeyGVSPEKXEMYHVLX-UHFFFAOYSA-N
MW762.88 g/mol
LogP6.58
Rot. Bonds12

About 1-cyclopropyl-3-[[4-(2-methylpropoxy)-6-[2-[2-oxo-3-[(4-propan-2-yloxyquinazolin-2-yl)methyl]imidazo[4,5-c]pyridin-1-yl]cyclopropyl]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

1-cyclopropyl-3-[[4-(2-methylpropoxy)-6-[2-[2-oxo-3-[(4-propan-2-yloxyquinazolin-2-yl)methyl]imidazo[4,5-c]pyridin-1-yl]cyclopropyl]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 130235023) has the molecular formula C43H42N10O4 and a molecular weight of 762.88 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[4-(2-methylpropoxy)-6-[2-[2-oxo-3-[(4-propan-2-yloxyquinazolin-2-yl)methyl]imidazo[4,5-c]pyridin-1-yl]cyclopropyl]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[4-(2-methylpropoxy)-6-[2-[2-oxo-3-[(4-propan-2-yloxyquinazolin-2-yl)methyl]imidazo[4,5-c]pyridin-1-yl]cyclopropyl]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID130235023
Molecular FormulaC43H42N10O4
Molecular Weight762.88 g/mol
Exact Mass762.34
IUPAC Name1-cyclopropyl-3-[[4-(2-methylpropoxy)-6-[2-[2-oxo-3-[(4-propan-2-yloxyquinazolin-2-yl)methyl]imidazo[4,5-c]pyridin-1-yl]cyclopropyl]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCC(C)COc1nc(Cn2c(=O)n(C3CC3)c3ccncc32)nc2ccc(C3CC3n3c(=O)n(Cc4nc(OC(C)C)c5ccccc5n4)c4cnccc43)cc12
InChIInChI=1S/C43H42N10O4/c1-24(2)23-56-40-30-17-26(9-12-32(30)47-38(48-40)21-50-36-19-44-15-13-33(36)52(42(50)54)27-10-11-27)29-18-35(29)53-34-14-16-45-20-37(34)51(43(53)55)22-39-46-31-8-6-5-7-28(31)41(49-39)57-25(3)4/h5-9,12-17,19-20,24-25,27,29,35H,10-11,18,21-23H2,1-4H3
InChIKeyGVSPEKXEMYHVLX-UHFFFAOYSA-N
XLogP6.58
TPSA149.66 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500762.88
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 1-cyclopropyl-3-[[4-(2-methylpropoxy)-6-[2-[2-oxo-3-[(4-propan-2-yloxyquinazolin-2-yl)methyl]imidazo[4,5-c]pyridin-1-yl]cyclopropyl]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[4-(2-methylpropoxy)-6-[2-[2-oxo-3-[(4-propan-2-yloxyquinazolin-2-yl)methyl]imidazo[4,5-c]pyridin-1-yl]cyclopropyl]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-[[4-(2-methylpropoxy)-6-[2-[2-oxo-3-[(4-propan-2-yloxyquinazolin-2-yl)methyl]imidazo[4,5-c]pyridin-1-yl]cyclopropyl]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 130235023) is 1-cyclopropyl-3-[[4-(2-methylpropoxy)-6-[2-[2-oxo-3-[(4-propan-2-yloxyquinazolin-2-yl)methyl]imidazo[4,5-c]pyridin-1-yl]cyclopropyl]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[[4-(2-methylpropoxy)-6-[2-[2-oxo-3-[(4-propan-2-yloxyquinazolin-2-yl)methyl]imidazo[4,5-c]pyridin-1-yl]cyclopropyl]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[4-(2-methylpropoxy)-6-[2-[2-oxo-3-[(4-propan-2-yloxyquinazolin-2-yl)methyl]imidazo[4,5-c]pyridin-1-yl]cyclopropyl]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is CC(C)COc1nc(Cn2c(=O)n(C3CC3)c3ccncc32)nc2ccc(C3CC3n3c(=O)n(Cc4nc(OC(C)C)c5ccccc5n4)c4cnccc43)cc12.
What is the InChIKey of 1-cyclopropyl-3-[[4-(2-methylpropoxy)-6-[2-[2-oxo-3-[(4-propan-2-yloxyquinazolin-2-yl)methyl]imidazo[4,5-c]pyridin-1-yl]cyclopropyl]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is GVSPEKXEMYHVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H42N10O4/c1-24(2)23-56-40-30-17-26(9-12-32(30)47-38(48-40)21-50-36-19-44-15-13-33(36)52(42(50)54)27-10-11-27)29-18-35(29)53-34-14-16-45-20-37(34)51(43(53)55)22-39-46-31-8-6-5-7-28(31)41(49-39)57-25(3)4/h5-9,12-17,19-20,24-25,27,29,35H,10-11,18,21-23H2,1-4H3.
What are the key properties of 1-cyclopropyl-3-[[4-(2-methylpropoxy)-6-[2-[2-oxo-3-[(4-propan-2-yloxyquinazolin-2-yl)methyl]imidazo[4,5-c]pyridin-1-yl]cyclopropyl]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
1-cyclopropyl-3-[[4-(2-methylpropoxy)-6-[2-[2-oxo-3-[(4-propan-2-yloxyquinazolin-2-yl)methyl]imidazo[4,5-c]pyridin-1-yl]cyclopropyl]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 762.88 g/mol, XLogP of 6.58, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[4-(2-methylpropoxy)-6-[2-[2-oxo-3-[(4-propan-2-yloxyquinazolin-2-yl)methyl]imidazo[4,5-c]pyridin-1-yl]cyclopropyl]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 130235023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).